Molecular Packing Interaction in DNA Crystals

Effect of dipolar interaction in molecular crystals.

In this paper we investigate the ground state and the nature of the transition from an orientational ordered phase at low temperature to the disordered state at high temperature in a molecular crystal. Our model is a Potts model which takes into account the exchange interaction J between nearest-neighbor molecules and a dipolar interaction between molecular axes in three dimensions. The dipolar...

Packing density in photonic crystals

Optical Properties of Molecular Crystals: The Effect of Molecular Packing and Polymorphism

Intermolecular Interaction Energies in Molecular Crystals of 4-Formylcoumarin Derivatives

Most of the crystallographic analysis that follows from structure determination involves interpretation of the molecular geometry and a working knowledge of a variety of intraand intermolecular interactions based purely on geometrical considerations (distance and angle cut off criteria). The missing link is to explore the energetics associated with these interactions, particularly intermolecula...

Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.

The crystal structures of several designed peptide hairpins have been determined in order to establish features of molecular conformations and modes of aggregation in the crystals. Hairpin formation has been induced using a centrally positioned (D)Pro-Xxx segment (Xxx = (L)Pro, Aib, Ac6c, Ala; Aib = α-aminoisobutyric acid; Ac6c = 1-aminocyclohexane-1-carboxylic acid). Structures of the peptides...